8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C13H24N4O — CID 79505483

IUPAC8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCN1CCC2(CC1)CN=C(N)N2CC1CCCO1
InChIInChI=1S/C13H24N4O/c1-16-6-4-13(5-7-16)10-15-12(14)17(13)9-11-3-2-8-18-11/h11H,2-10H2,1H3,(H2,14,15)
InChIKeyPYRORWVYPQJRGI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.26
Rot. Bonds2

About 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505483) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505483
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCN1CCC2(CC1)CN=C(N)N2CC1CCCO1
InChIInChI=1S/C13H24N4O/c1-16-6-4-13(5-7-16)10-15-12(14)17(13)9-11-3-2-8-18-11/h11H,2-10H2,1H3,(H2,14,15)
InChIKeyPYRORWVYPQJRGI-UHFFFAOYSA-N
XLogP0.26
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505489
8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504736
8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504811
7,9-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504734
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79499139
5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504816
5-cyclohexyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504971
6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 114080281
9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504740
5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 82776453
5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 115941748
1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498192

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79505483) is 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CN1CCC2(CC1)CN=C(N)N2CC1CCCO1.
What is the InChIKey of 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is PYRORWVYPQJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-6-4-13(5-7-16)10-15-12(14)17(13)9-11-3-2-8-18-11/h11H,2-10H2,1H3,(H2,14,15).
What are the key properties of 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 252.36 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).